SCHEMBL10305129

SCHEMBL10305129

NC(=O)[C@@H](N)Cc1ccco1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.54
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
EPHX2 P34913 3/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6248383 1.00 ALOX5 (0.54) ALOX5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL6248378 1.00 ALOX5 (0.54) ALOX5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL180118 0.85 SLC1A3 (0.54) ALOX5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL1663153 0.85 SLC1A3 (0.54) ALOX5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL599915 0.85 SLC1A3 (0.54) ALOX5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL12240912 0.84 ALDH1A1 (0.50) ALOX5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL10926891 0.84 ALDH1A1 (0.50) ALOX5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL25284288 0.83 ALOX5 (0.51) ALOX5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL27949190 0.83 ALOX5 (0.51) ALOX5SLC1A3SLC1A2SLC1A1ALDH1A1
Hydrochloric Acid SCHEMBL6530727 0.82 ALOX5 (0.47) ALOX5SLC1A3SLC1A2SLC1A1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053279-B2 Methods for the site-selective coupling of a first agent to a second agent UNIVERSITEIT GENT (BE) 2021-07-06 US disclosed
EP-3313858-B1 METHODS FOR THE SITE-SELECTIVE COUPLING OF A FIRST AGENT TO A SECOND AGENT UNIV GENT (BE) 2019-09-25 EP disclosed
US-20190002494-A1 METHODS FOR THE SITE-SELECTIVE COUPLING OF A FIRST AGENT TO A SECOND AGENT UNIVERSITEIT GENT (BE) 2019-01-03 US disclosed
EP-2481407-A1 Compounds for use in treating cognitive disorders Allergan, Inc. (US) 2012-08-01 EP disclosed
EP-2474534-A1 3-Aryl-3-hydroxy-2-amino-propionic acid amides, 3-heteroaryl-3-hydroxy-2-amino-propionic acid amides and related compounds having analgesic and/or immunostimulant activity Allergan, Inc. (US) 2012-07-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11053279-B2 Methods for the site-selective coupling of a first agent to a second agent PAICS, HNMT, DPYD ALOX5 554/4885SLC1A3 4248/4885SLC1A2 2293/4885
US-20190002494-A1 METHODS FOR THE SITE-SELECTIVE COUPLING OF A FIRST AGENT TO A SECOND AGENT PAICS, HNMT, DPYD ALOX5 554/4885SLC1A3 4248/4885SLC1A2 2293/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.